SCHEMBL29249573

SCHEMBL29249573

C=CC(=O)OC[Si](CCCC)(OCC)OCC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
THRB P10828 4/20 0.35
ATM Q13315 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
THRA P10827 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1066807 0.90 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28238881 0.86 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1066186 0.83 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL8899363 0.80 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1067280 0.79 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1064307 0.79 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16537313 0.78 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28040547 0.78 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2491698 0.77 TSHR (0.49) TSHRALDH1A1THRB
SCHEMBL534222 0.77 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302464-A Phosphorus-containing silicone core acrylic shell impact modifiers 罗门哈斯公司 2024-07-05 CN disclosed